N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide

C22H15FN2O2 — CID 1322841

IUPACN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C22H15FN2O2/c23-17-8-4-7-16(13-17)22-25-19-14-18(10-11-20(19)27-22)24-21(26)12-9-15-5-2-1-3-6-15/h1-14H,(H,24,26)
InChIKeyOXRRKIYJUDLQMN-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.29
Rot. Bonds4

About N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide

N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide (PubChem CID 1322841) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
PubChem CID1322841
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC NameN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C22H15FN2O2/c23-17-8-4-7-16(13-17)22-25-19-14-18(10-11-20(19)27-22)24-21(26)12-9-15-5-2-1-3-6-15/h1-14H,(H,24,26)
InChIKeyOXRRKIYJUDLQMN-UHFFFAOYSA-N
XLogP5.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 1397296
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 3557316
3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 727013
(E)-3-(3,4-dimethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 21214049
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]but-3-enamide
CID 4714601
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]thiourea
CID 28689369
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
CID 21211890
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91676646
(E)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 5346255
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
2,3-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1324915

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide (CID 1322841) is N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide?
The InChIKey is OXRRKIYJUDLQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-17-8-4-7-16(13-17)22-25-19-14-18(10-11-20(19)27-22)24-21(26)12-9-15-5-2-1-3-6-15/h1-14H,(H,24,26).
What are the key properties of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide?
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide has a molecular weight of 358.37 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1322841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).